Dy6YSn23Os6
High-Entropy Materials HEAMP-ID: mp-3296883 · Space group: P-3m1 (#164)
Basic Information
Formula
Dy6YSn23Os6
MP-ID
mp-3296883
Elements
4
Sites
36
Density
9.7686
g/cm³
Volume
838.99
ų
Cell a
9.8291
Å
Cell b
9.8291
Å
Cell c
10.0277
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-3m1
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
hP
Stability
Yes
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 8.82 | 10.0277 | 2.4 | (0,0,0,1) |
| 13.65 | 6.4894 | 15.6 | (1,0,-1,1) |
| 17.69 | 5.0138 | 19.6 | (0,0,0,2) |
| 18.05 | 4.9146 | 8.4 | (2,-1,-1,0) |
| 20.12 | 4.4130 | 1.6 | (2,-1,-1,1) |
| 20.56 | 4.3201 | 1.6 | (1,0,-1,2) |
| 22.70 | 3.9178 | 26.7 | (2,0,-2,1) |
| 25.38 | 3.5097 | 4.9 | (2,-1,-1,2) |
| 27.49 | 3.2447 | 17.4 | (2,0,-2,2) |
| 29.15 | 3.0635 | 6.0 | (3,-2,-1,1) |
| 29.15 | 3.0635 | 6.0 | (3,-1,-2,1) |
| 32.39 | 2.7639 | 20.2 | (2,-1,-1,3) |
| 32.80 | 2.7302 | 100.0 | (3,0,-3,1) |
| 33.08 | 2.7078 | 56.1 | (3,-1,-2,2) |
| 34.11 | 2.6288 | 66.9 | (2,0,-2,3) |
| 35.82 | 2.5069 | 19.8 | (0,0,0,4) |
| 36.38 | 2.4694 | 53.5 | (3,0,-3,2) |
| 36.57 | 2.4573 | 21.6 | (2,-4,2,0) |
| 36.57 | 2.4573 | 43.2 | (4,-2,-2,0) |
| 37.40 | 2.4048 | 25.8 | (1,0,-1,4) |
| 38.12 | 2.3609 | 6.4 | (4,-1,-3,0) |
| 38.85 | 2.3180 | 7.1 | (3,-2,-1,3) |
| 38.85 | 2.3180 | 14.2 | (3,-1,-2,3) |
| 39.20 | 2.2980 | 10.1 | (4,-1,-3,1) |
Energy Properties
Formation Energy/atom
-0.39764
eV/atom
Energy/atom
-30.93314
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.9331
eV/atom
Volume/atom
23.31
ų
c/a Ratio
1.0202
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0190
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.639
Element Family
PostTransition-Noble
Solute Fraction
0.361
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9830
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.1729
J/mol·K
Ω Parameter
2.6621
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.194%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3245
smaller = more stable mixing
VEC
5.639
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
3.695
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7091
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296883
Reference Citation
The crystal structure and related material properties of Dy6YSn23Os6 were obtained from the Materials Project database (MP-ID: mp-3296883, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_Dy6YSn23Os6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.82909364
_cell_length_b 9.82909372
_cell_length_c 10.02768696
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000306
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy6YSn23Os6
_chemical_formula_sum 'Dy6 Y1 Sn23 Os6'
_cell_volume 838.99299439
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Dy Dy0 1 0.02989250 0.51494575 0.30102096 1.0
Dy Dy1 1 0.48505425 0.97010750 0.30102096 1.0
Dy Dy2 1 0.48505425 0.51494575 0.30102096 1.0
Dy Dy3 1 0.97010750 0.48505425 0.69897904 1.0
Dy Dy4 1 0.51494575 0.02989250 0.69897904 1.0
Dy Dy5 1 0.51494575 0.48505425 0.69897904 1.0
Y Y6 1 0.00000000 0.00000000 0.00000000 1.0
Sn Sn7 1 0.00000000 0.00000000 0.50000000 1.0
Sn Sn8 1 0.11658230 0.88341770 0.28184943 1.0
Sn Sn9 1 0.76683541 0.88341770 0.28184943 1.0
Sn Sn10 1 0.11658230 0.23316459 0.28184943 1.0
Sn Sn11 1 0.88341770 0.11658230 0.71815057 1.0
Sn Sn12 1 0.23316459 0.11658230 0.71815057 1.0
Sn Sn13 1 0.88341770 0.76683541 0.71815057 1.0
Sn Sn14 1 0.34887538 0.00000000 0.00000000 1.0
Sn Sn15 1 0.65112462 0.65112462 0.00000000 1.0
Sn Sn16 1 0.00000000 0.34887538 0.00000000 1.0
Sn Sn17 1 0.34887538 0.34887538 0.00000000 1.0
Sn Sn18 1 1.00000000 0.65112462 0.00000000 1.0
Sn Sn19 1 0.65112462 1.00000000 0.00000000 1.0
Sn Sn20 1 0.77658979 0.55318058 0.46193384 1.0
Sn Sn21 1 0.77658979 0.22341021 0.46193384 1.0
Sn Sn22 1 0.44681942 0.22341021 0.46193384 1.0
Sn Sn23 1 0.22341021 0.44681942 0.53806616 1.0
Sn Sn24 1 0.22341021 0.77658979 0.53806616 1.0
Sn Sn25 1 0.55318058 0.77658979 0.53806616 1.0
Sn Sn26 1 0.66666700 0.33333300 0.17297141 1.0
Sn Sn27 1 0.33333300 0.66666700 0.82702859 1.0
Sn Sn28 1 0.66666700 0.33333300 0.86977959 1.0
Sn Sn29 1 0.33333300 0.66666700 0.13022041 1.0
Os Os30 1 0.16998130 0.83001870 0.79755262 1.0
Os Os31 1 0.66003741 0.83001870 0.79755262 1.0
Os Os32 1 0.16998130 0.33996259 0.79755262 1.0
Os Os33 1 0.83001870 0.16998130 0.20244738 1.0
Os Os34 1 0.33996259 0.16998130 0.20244738 1.0
Os Os35 1 0.83001870 0.66003741 0.20244738 1.0
